(S)-1-Fluoro-2-propylamine hydrochloride

C3H9ClFNCAS 458560-63-9113.56 g/mol

Open in Covalent MOL file
FH2NHCl
Alkyl halidePrimary amine

Properties

Molecular formula
C3H9ClFN
Molar mass
113.56 g/mol
Exact mass
113.0408 Da
logP
0.72Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
458560-63-9
SMILES
C[C@@H](CF)N.Cl
InChIKey
FHXAJBGANRCCBG-DFWYDOINSA-N
InChI
InChI=1S/C3H8FN.ClH/c1-3(5)2-4;/h3H,2,5H2,1H3;1H/t3-;/m0./s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • (2S)-1-Fluoropropan-2-amine hydrochloride

Work with (S)-1-Fluoro-2-propylamine hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(R)-1-Fluoro-2-propylamine hydrochloride273734-17-1Enantiomer

Similar compounds

(S)-(-)-1,2-Propanediamine dihydrochloride19777-66-352 % similar (+)-1,2-Propanediamine dihydrochloride19777-67-452 % similar 1,3-Dimethylbutylamine hydrochloride71776-70-050 % similar (1,5-Dimethylhexyl)ammonium chloride5984-59-844 % similar 4-Methyl-2-hexanamine hydrochloride13803-74-243 % similar L-Beta-homoalanine hydrochloride58610-41-640 % similar (-)-sec-Butylamine13250-12-939 % similar sec-Butylamine13952-84-639 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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